Information card for entry 4313517

Structure parameters

• Common name: (1,10-phenanthroline)(2-(methylthio)ethyl- salicylaldiminato)copper(II)monoperchlorate.0.5 methanol solvate
• Formula: C22.5 H22 Cl Cu N3 O5.5 S
• Calculated formula: C22.5 H20 Cl Cu N3 O5.5 S
• SMILES: [Cu]123([S](CC[N]3=Cc3c(O1)cccc3)C)[n]1cccc3ccc4ccc[n]2c4c13.Cl(=O)(=O)(=O)[O-].OC
• Title of publication: Efficient Visible Light Induced Nuclease Activity of a Ternary Mono-1,10-phenanthroline Copper(II) Complex Containing 2-(Methylthio)ethylsalicylaldimine
• Authors of publication: Shanta Dhar; Akhil R. Chakravarty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2483 - 2485
• a: 7.8487 ± 0.0019 Å
• b: 11.573 ± 0.003 Å
• c: 26.276 ± 0.007 Å
• α: 86.317 ± 0.004°
• β: 82.347 ± 0.004°
• γ: 79.416 ± 0.004°
• Cell volume: 2323.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1723
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No